1-(4-Chlorophenyl)-1H-pyrrole

C₁₀H₈ClNCAS 5044-38-2177.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₈ClN
Molar mass: 177.63 g/mol
Exact mass: 177.0345 Da
logP: 3.13Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5044-38-2

SMILES

C1=CN(C=C1)C2=CC=C(C=C2)Cl

InChIKey

LTOQUFIOYDCJFJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

Weigh it out

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Work with 1-(4-Chlorophenyl)-1H-pyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Phenylpyrrole635-90-555 % similar N-(4-Fluorophenyl)pyrrole81329-31-952 % similar 1,4-Dichlorobenzene106-46-747 % similar 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-146 % similar 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-842 % similar 1-(4-Nitrophenyl)-1H-pyrrole4533-42-042 % similar 1-(3-Bromophenyl)-1H-pyrrole107302-22-741 % similar 3-(1H-Pyrrol-1-yl)aniline89353-42-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-6-methylquinoline18436-71-0 4-Chloro-8-methylquinoline18436-73-2 8-Chloro-2-methylquinoline3033-82-7 4-Chloro-2-methylquinoline4295-06-1 2-Chloro-6-methylquinoline4295-11-8 5-Chloroquinaldine4964-69-6 7-Chloroquinaldine4965-33-7 2-Chloro-3-methylquinoline57876-69-4

Elsewhere

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